(E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-methyl-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-methyl-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-methyl-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-methylphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-methylphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-methyl-phenyl)but-3-enoic acid Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C19H17NO3S/c1-12-9-13(7-8-16(12)23-2)10-14(11-18(21)22)19-20-15-5-3-4-6-17(15)24-19/h3-10H,11H2,1-2H3,(H,21,22)/b14-10+